| Protein sequence(s) | APYGARMPFGGQVPLGAPPPFPTWPGCPQPPPLHAWQAGTPPPPSPQPAAFPQSLPFPQSPAFPTASPAPPQSPGLQPLIIHHAQMVQLGLNNHMWNQRGSQAPEDKTQEAE input pdb |
| Peptide sequence | RRRRVQLFGDNAYRR |
| Simulation mc cycles | 50 |
| Peptide secondary structure psipred | CCCCEECCCCCCCCC |
| Receptor residue | Peptide residue |
| Receptor residue | Peptide residue |
| Receptor residue | Peptide residue |
| cluster name | cluster density | average rmsd | max rmsd | number of elements |
| cluster_1.pdb ( medoid) | 18.631 | 6.60192 | 26.8627 | 123 |
| cluster_2.pdb ( medoid) | 18.0531 | 8.03186 | 27.0803 | 145 |
| cluster_3.pdb ( medoid) | 13.4688 | 12.2505 | 29.508 | 165 |
| cluster_4.pdb ( medoid) | 12.2219 | 9.08209 | 27.7957 | 111 |
| cluster_5.pdb ( medoid) | 9.18922 | 13.3852 | 27.6635 | 123 |
| cluster_6.pdb ( medoid) | 7.76269 | 10.6922 | 26.9961 | 83 |
| cluster_7.pdb ( medoid) | 7.29513 | 10.2808 | 24.7118 | 75 |
| cluster_8.pdb ( medoid) | 5.08341 | 14.7539 | 31.2458 | 75 |
| cluster_9.pdb ( medoid) | 4.19024 | 11.2165 | 25.5443 | 47 |
| cluster_10.pdb ( medoid) | 3.83111 | 13.8341 | 29.6769 | 53 |